methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate

C15H17NO2S — CID 54895016

IUPACmethyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCc1cccs1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(14(17)18-2,12-7-4-3-5-8-12)16-11-13-9-6-10-19-13/h3-10,16H,11H2,1-2H3
InChIKeyZCQZDUOBTIGDKH-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.93
Rot. Bonds5

About methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate

methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate (PubChem CID 54895016) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
PubChem CID54895016
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCc1cccs1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(14(17)18-2,12-7-4-3-5-8-12)16-11-13-9-6-10-19-13/h3-10,16H,11H2,1-2H3
InChIKeyZCQZDUOBTIGDKH-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-bromo-4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 62913533
methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
2-(4-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001696
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
methyl 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 82956328
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 43093716
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 54889525
4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
The IUPAC name of methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate (CID 54895016) is methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate is COC(=O)C(C)(NCc1cccs1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
The InChIKey is ZCQZDUOBTIGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(14(17)18-2,12-7-4-3-5-8-12)16-11-13-9-6-10-19-13/h3-10,16H,11H2,1-2H3.
What are the key properties of methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate has a molecular weight of 275.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate is sourced from PubChem (CID 54895016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).